Geometry & MOs

Info

ID:

43904

PubChem CID:

10321958

Reduced:

N3O7C23H29 (1)

Stoich.:

A3B7C23D29 (1)

Weight, g/mol:

459.202128

ΔHf, kcal/mol:

-266.38

Dipole, Da:

3.38

IP(EA), eV:

 -8.76(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(11R,13S,17S)-17-hydroxy-11-[4-[(E)-hydroxyiminomethyl]phenyl]-13-methyl-17-(trifluoromethyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

CC(C(C(=O)O)N)O.COC1=C(C=C(C=C1)C(CC(=O)N)N2CC3=CC=CC=C3C2=O)OC

DOS

IR

Vibrations